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3-methyl-[1,1'-biphenyl]-2,4'-dicarboxylic acid 4'-ethyl 2-methyl ester
SpectraBase Compound ID EfuAnKIv6rY
InChI InChI=1S/C18H18O4/c1-4-22-17(19)14-10-8-13(9-11-14)15-7-5-6-12(2)16(15)18(20)21-3/h5-11H,4H2,1-3H3
InChIKey LYIMTADQNVNVLQ-UHFFFAOYSA-N
Mol Weight 298.34 g/mol
Molecular Formula C18H18O4
Exact Mass 298.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10FBAo73fjv
Name 3-methyl-[1,1'-biphenyl]-2,4'-dicarboxylic acid 4'-ethyl 2-methyl ester
Appearance Colorless solid
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Formula C18H18O4
InChI InChI=1S/C18H18O4/c1-4-22-17(19)14-10-8-13(9-11-14)15-7-5-6-12(2)16(15)18(20)21-3/h5-11H,4H2,1-3H3
InChIKey LYIMTADQNVNVLQ-UHFFFAOYSA-N
Instrument Name Agilent 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201900596
Reported Formula C18H18O4
SMILES c1c(c(c(-c2ccc(cc2)C(OCC)=O)cc1)C(=O)OC)C
SPLASH splash10-0002-0490000000-9603ed4c892cad27bb90
Source of Spectrum ASC-361-SM29-3ae
Wiley ID 1835331